3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H28ClN3 — CID 62288457

IUPAC3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cnc(N(C)C2CCCCC2C)c(Cl)c1
InChIInChI=1S/C17H28ClN3/c1-12(2)19-10-14-9-15(18)17(20-11-14)21(4)16-8-6-5-7-13(16)3/h9,11-13,16,19H,5-8,10H2,1-4H3
InChIKeyMNBIIJVPUQFVRM-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.25
Rot. Bonds5

About 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62288457) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62288457
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC Name3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cnc(N(C)C2CCCCC2C)c(Cl)c1
InChIInChI=1S/C17H28ClN3/c1-12(2)19-10-14-9-15(18)17(20-11-14)21(4)16-8-6-5-7-13(16)3/h9,11-13,16,19H,5-8,10H2,1-4H3
InChIKeyMNBIIJVPUQFVRM-UHFFFAOYSA-N
XLogP4.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62288457) is 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1cnc(N(C)C2CCCCC2C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is MNBIIJVPUQFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-12(2)19-10-14-9-15(18)17(20-11-14)21(4)16-8-6-5-7-13(16)3/h9,11-13,16,19H,5-8,10H2,1-4H3.
What are the key properties of 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 309.89 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62288457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).